2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide

C14H15F2NO — CID 112696480

IUPAC2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-4-6-17(7-5-2)14(18)11-8-10(3)12(15)9-13(11)16/h1,8-9H,5-7H2,2-3H3
InChIKeyHUQKTBCSGZZDOW-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.76
Rot. Bonds4

About 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide

2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide (PubChem CID 112696480) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
PubChem CID112696480
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-4-6-17(7-5-2)14(18)11-8-10(3)12(15)9-13(11)16/h1,8-9H,5-7H2,2-3H3
InChIKeyHUQKTBCSGZZDOW-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112702540
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183
2-fluoro-4-nitro-N-propyl-N-prop-2-ynylbenzamide
CID 78970643
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
2-chloro-4-fluoro-N-propyl-N-prop-2-ynylbenzamide
CID 78970523
N-ethyl-5-fluoro-2-methyl-N-prop-2-ynylbenzamide
CID 78971177
3-amino-5-bromo-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 114011377
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
3-fluoro-4-methoxy-N-propyl-N-prop-2-ynylbenzamide
CID 78970638
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide?
The IUPAC name of 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide (CID 112696480) is 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide is C#CCN(CCC)C(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide?
The InChIKey is HUQKTBCSGZZDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-4-6-17(7-5-2)14(18)11-8-10(3)12(15)9-13(11)16/h1,8-9H,5-7H2,2-3H3.
What are the key properties of 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide?
2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide has a molecular weight of 251.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 112696480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).